tert-butyl 2-[[(2Z)-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[(2Z)-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[(2Z)-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]acetate CAS Name: 2-[[(2Z)-2-(2-pyrrolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(2Z)-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]acetate Traditional Name: 2-[[(2Z)-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl]thio]acetic acid tert-butyl ester Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NNC(=C2C=CC=N2)O1

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN/C(=C/2\C=CC=N2)/O1

InChI

InChI=1S/C12H15N3O3S/c1-12(2,3)18-9(16)7-19-11-15-14-10(17-11)8-5-4-6-13-8/h4-6,14H,7H2,1-3H3/b10-8-